SCHEMBL10691402

SCHEMBL10691402

OCCNCCOc1c2ccc(Cl)cc2cc2cc(Cl)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
KDM4E B2RXH2 3/20 0.42
TP53 P04637 2/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADORA2A P29274 1/20 0.40
DRD4 P21917 3/20 0.38
DRD2 P14416 2/20 0.38
ATM Q13315 1/20 0.38
DRD3 P35462 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11162302 0.84 LMNA (0.52) LMNAALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL10692266 0.80 HTR1B (0.63) LMNAALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL10692973 0.76 S1PR4 (0.34) TSHRCYP1A2POLBGAA
SCHEMBL9535275 0.74 SMN1; SMN2 (0.55) LMNAALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL10694803 0.74 PARP1 (0.42) HTR1BKDM4E
SCHEMBL11170176 0.74 HTR1B (0.63) LMNAALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL10692528 0.71 MAPT (0.49) ALDH1A1SMN1; SMN2CYP1A2CYP2C19HTR1B
SCHEMBL10693171 0.70 SLC6A4 (0.35) LMNAHTR1DHTR1BDRD4DRD2
SCHEMBL24450453 0.70 LMNA (0.52) LMNAALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL10691905 0.70 L3MBTL1 (0.41) LMNACYP1A2CYP2D6CYP2C19L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4792551-A 9-anthryloxyaminoalkanes and related compounds as anti-inflammatory and analgetic agents SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0132351-A2 9-Anthryloxyaminoalkanes and related compounds, processes for their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1985-01-30 EP disclosed